New Methods and Algorithms for Biomolecular Modeling

Presentations

• Adaptive Biasing Force Method for Vector Free Energy Calculations

  COFFEE_KLATCH · Invited

  March 14, 2006, 2:30 PM – March 14, 2006, 3:06 PM

  Authors

  • Eric Darve

    • Stanford University
    • Stanford

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• New Distributed Multipole Methods for Accurate Electrostatics for Large-Scale Biomolecular Simultations

  COFFEE_KLATCH · Invited

  March 14, 2006, 3:06 PM – March 14, 2006, 3:42 PM

  Authors

  • Celeste Sagui

    • North Carolina State University

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• Flexibility in Biomolecules: Beyond Molecular Dynamics.

  COFFEE_KLATCH · Invited

  March 14, 2006, 3:42 PM – March 14, 2006, 4:18 PM

  Authors

  • Michael Thorpe

    • Center for Biological Physics, Arizona State University

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• Enhanced conformational sampling via novel variable transformations and very large time-step molecular dynamics

  COFFEE_KLATCH · Invited

  March 14, 2006, 4:18 PM – March 14, 2006, 4:54 PM

  Authors

  • Mark Tuckerman

    • New York University

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• Reaction Path Reaction path potential for complex biomolecular systems derived from mixed QM/MM methods

  COFFEE_KLATCH · Invited

  March 14, 2006, 4:54 PM – March 14, 2006, 5:30 PM

  Authors

  • Weitao Yang

    • Department of Chemistry Duke University

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